structural formula
| business number | 01xx |
|---|---|
| molecular formula | c7h5cl3o |
| molecular weight | 211.47 |
| label |
2,4,6-trichloroanisole, 2,4,6-trichloro-1-methoxybenzene, cl3c6h2och3 |
numbering system
cas number:87-40-1
mdl number:mfcd00000588
einecs number:201-743-5
rtecs number:none
brn number:2329219
pubchem number:24861209
physical property data
1. characteristics: white monoclinic needle-like crystals, with a slight odor similar to acetophenone, sublimes slowly at room temperature, and can evaporate with water vapor
2. density (g/ml ,25/4℃): undetermined
3. relative vapor density (g/ml,air=1): undetermined
4. melting point (ºc):75℃(precipitated in water),65.8℃ (unstable).
5. boiling point (ºc,normal pressure):290
6. boiling point (ºc,5.2 kpa): undetermined
7. refractive index:1.536
8. flash point (ºc):152
9. specific optical rotation (º ): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (kpa, 25ºc): undetermined
12.17. explosion limit (%,v/v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility:soluble in ethanol, ether and hot water, very slightly soluble in water.
toxicological data
none yet
ecological data
none yet
molecular structure data
1. molar refractive index: 47.61
2. molar volume (m3/mol）：149.2
3. isotonic specific volume (90.2k):371.5
4. surface tension (dyne/cm):38.3
5. polarizability（10-24cm3):18.87
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 9.2
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 119
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
this product should be sealed and stored in a cool, dry place away from light.
synthesis method
none yet
purpose
organic synthesis.
; text-indent: -54.75pt; text-align: left; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level2 lfo1 ” align=left> 3. isotonic specific volume (90.2k):371.5
4. surface tension (dyne/cm):38.3
5. polarizability（10-24cm3):18.87
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 9.2
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 119
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
this product should be sealed and stored in a cool, dry place away from light.
synthesis method
none yet
purpose
organic synthesis.
